CHEBI:126395 - (6R,7R,8R)-N-cyclopentyl-8-(hydroxymethyl)-7-[4-(4-methylpent-1-ynyl)phenyl]-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (6R,7R,8R)-N-cyclopentyl-8-(hydroxymethyl)-7-[4-(4-methylpent-1-ynyl)phenyl]-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide
ChEBI ID CHEBI:126395
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C25H33N3O3
Net Charge 0
Average Mass 423.549
Monoisotopic Mass 423.25219
InChI InChI=1S/C25H33N3O3/c1-17(2)6-5-7-18-10-12-19(13-11-18)24-21-14-27(15-23(30)28(21)22(24)16-29)25(31)26-20-8-3-4-9-20/h10-13,17,20-22,24,29H,3-4,6,8-9,14-16H2,1-2H3,(H,26,31)/t21-,22-,24+/m0/s1
InChIKey VYSPFUUZGAOWHP-WPFOTENUSA-N
SMILES CC(C)CC#CC1=CC=C(C=C1)[C@@H]2[C@@H]3CN(CC(=O)N3[C@H]2CO)C(=O)NC4CCCC4
ChEBI Ontology
Outgoing (6R,7R,8R)-N-cyclopentyl-8-(hydroxymethyl)-7-[4-(4-methylpent-1-ynyl)phenyl]-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide (CHEBI:126395) is a azetidines (CHEBI:38777)
(6R,7R,8R)-N-cyclopentyl-8-(hydroxymethyl)-7-[4-(4-methylpent-1-ynyl)phenyl]-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide (CHEBI:126395) is a benzenes (CHEBI:22712)
(6R,7R,8R)-N-cyclopentyl-8-(hydroxymethyl)-7-[4-(4-methylpent-1-ynyl)phenyl]-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide (CHEBI:126395) is a ring assembly (CHEBI:36820)
Manual Xref Database
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